SCHEMBL5409630

SCHEMBL5409630

COC1=Cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2CC1OC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 13/20 0.64
PLK1 P53350 9/20 0.64
TBK1 Q9UHD2 1/20 0.64
MPO P05164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5403798 0.86 PLK1 (0.62) IKBKEPLK1TBK1
SCHEMBL5769049 0.83 IKBKE (0.44) IKBKEPLK1TBK1
SCHEMBL5402250 0.82 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5408899 0.82 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5395239 0.82 IKBKE (0.43) IKBKEPLK1TBK1
SCHEMBL5394634 0.81 IKBKE (0.45) IKBKEPLK1TBK1
SCHEMBL5394828 0.81 IKBKE (0.42) IKBKEPLK1TBK1
SCHEMBL5399856 0.79 IKBKE (0.62) IKBKEPLK1TBK1
Gsk-319347A SCHEMBL29712606 0.78 IKBKE (1.00) IKBKEPLK1TBK1
Gsk-319347A SCHEMBL29493088 0.78 IKBKE (1.00) IKBKEPLK1TBK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522142-A 2007-08-09 JP claimed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP claimed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO claimed